2-ethyl-3-methyl-4-nitro-phenol; 2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: 2-ethyl-3-methyl-4-nitro-phenol; 2,2,2-tris(fluoranyl)ethanamide Openeye Name: 2-ethyl-3-methyl-4-nitro-phenol; 2,2,2-trifluoroacetamide CAS Name: 2-ethyl-3-methyl-4-nitrophenol; 2,2,2-trifluoroacetamide IUPAC Name: 2-ethyl-3-methyl-4-nitrophenol; 2,2,2-trifluoroacetamide Traditional Name: 2-ethyl-3-methyl-4-nitro-phenol; 2,2,2-trifluoroacetamide Formula: C11H13F3N2O4 MolecularWeight: 294.22713

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C)[N+](=O)[O-])O.C(=O)(C(F)(F)F)N

Isomeric SMILES

CCC1=C(C=CC(=C1C)[N+](=O)[O-])O.C(=O)(C(F)(F)F)N

InChI

InChI=1S/C9H11NO3.C2H2F3NO/c1-3-7-6(2)8(10(12)13)4-5-9(7)11;3-2(4,5)1(6)7/h4-5,11H,3H2,1-2H3;(H2,6,7)